CID 3060718

B 787

Structural Information

Molecular Formula
C15H31Cl2N2O2P
SMILES
CCCCCCC1C(C(NP(=O)(O1)N(CCCl)CCCl)C)C
InChI
InChI=1S/C15H31Cl2N2O2P/c1-4-5-6-7-8-15-13(2)14(3)18-22(20,21-15)19(11-9-16)12-10-17/h13-15H,4-12H2,1-3H3,(H,18,20)
InChIKey
XBPIOQJELFXELE-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-6-hexyl-4,5-dimethyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.15002 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15730 187.3
[M+Na]+ 395.13924 192.5
[M-H]- 371.14274 187.3
[M+NH4]+ 390.18384 201.1
[M+K]+ 411.11318 188.3
[M+H-H2O]+ 355.14728 179.9
[M+HCOO]- 417.14822 199.5
[M+CH3COO]- 431.16387 219.9
[M+Na-2H]- 393.12469 184.1
[M]+ 372.14947 192.7
[M]- 372.15057 192.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.